Information card for entry 4084236

Structure parameters

• Formula: C196 H184 Cl4 Fe4 N8 O0.75 P10
• Calculated formula: C196 H184 Cl4 Fe4 N8 O0.748 P10
• Title of publication: From Molecular Wires to Molecular Resistors: TCNE, a Class-III/Class-II Mixed-Valence Chemical Switch
• Authors of publication: Burgun, Alexandre; Ellis, Benjamin G.; Roisnel, Thierry; Skelton, Brian W.; Bruce, Michael I.; Lapinte, Claude
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 16
• Pages of publication: 4209
• a: 13.0215 ± 0.0004 Å
• b: 15.5412 ± 0.0004 Å
• c: 26.2434 ± 0.0006 Å
• α: 105.34 ± 0.002°
• β: 91.571 ± 0.002°
• γ: 113.16 ± 0.002°
• Cell volume: 4656.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No